MAGNDATA - Collection of Magnetic Structures

MAGNDATA

Collection of Magnetic Structures

MAGNDATA: A Collection of magnetic structures with portable cif-type files

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,-y,-z,+1	{ -1 \| 0 }
3	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
4	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	-x,y,-z,-1	2'₀₁₀
4	x,-y,z,-1	m'₀₁₀

Label	Atom type	x	y	z	Occupancy	Multiplicity
Os1	Os	0.50000	0.00000	0.50000	0.81	2
La1	La	0.01540	0.04380	0.24940	1.	4
O1	O	0.28230	0.28720	0.04700	1.	4
O2	O	0.19550	0.79500	0.04700	1.	4
O3	O	0.92240	0.48350	0.24750	1.	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-1.77000	0.60000	0.00000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	-1.77000	-0.60000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.34000	-0.11000	0.00000
2	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.34000	0.11000	0.00000

Atom	x	y	z
1	0.50000	0.00000	0.50000
2	0.00000	0.50000	0.00000

Atom	x	y	z
1	0.01540	0.04380	0.24940
2	0.98460	0.95620	0.75060
3	0.48460	0.54380	0.25060
4	0.51540	0.45620	0.74940

Atom	x	y	z
1	0.28230	0.28720	0.04700
2	0.71770	0.71280	0.95300
3	0.21770	0.78720	0.45300
4	0.78230	0.21280	0.54700

Atom	x	y	z
1	0.19550	0.79500	0.04700
2	0.80450	0.20500	0.95300
3	0.30450	0.29500	0.45300
4	0.69550	0.70500	0.54700

Atom	x	y	z
1	0.92240	0.48350	0.24750
2	0.07760	0.51650	0.75250
3	0.57760	0.98350	0.25250
4	0.42240	0.01650	0.74750

Reference: H.L. Feng, M. Reehuis, P. Adler, Z. Hu, M. Nicklas, A. Hoser, S.-C. Weng, C. Felser and M. Jansen, Physical Review B (2018) 97 184407.
DOI: 10.1103/physrevb.97.184407
Atomic positions from: same reference

Parent space group (paramagnetic phase): P2₁/c (#14) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 125 K
Experiment Temperature: 3.2 K

Lattice parameters of the magnetic unit cell:
5.56980 5.61230 7.88620 90.00 90.04 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P2₁'/c' (#14.79) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m' (5.5.16)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.50000	0.00000	0.00000	1.	2	m_x,m_y,m_z	-1.77(5)	0.60(12)	0.0	1.87
Ni2	Ni	0.50000	0.00000	0.50000	0.19	2	m_x,m_y,m_z	0.34(1)	-0.11(2)	0.0	0.36

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	-1.77000	0.60000	0.00000
2	0.00000	0.50000	0.50000	m_x,-m_y,m_z	-1.77000	-0.60000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	m_x,m_y,m_z	0.34000	-0.11000	0.00000
2	0.00000	0.50000	0.00000	m_x,-m_y,m_z	0.34000	0.11000	0.00000

[Show all magnetic atoms in unit cell and their moment relations]

Active Irreps:

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	6

Comments:

NPD
Position structure from a determination at 3.2K
FM on the xz plane

Comments (symmetry):

1k magnetic structure
k-maximal magnetic symmetry
1-dim irrep as primary

Bilbao Crystallographic Server
https://www.cryst.ehu.es

For comments, please mail to
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MAGNDATA: A Collection of magnetic structures with portable cif-type files

La2Ni1.19Os0.81O6 (#0.502)

La₂Ni_1.19Os_0.81O₆ (#0.502)